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dimethyl-octadecyl-(1-phenyltridecyl)azanium chloride

dimethyl-octadecyl-(1-phenyltridecyl)azanium chloride

Systemtic Name:dimethyl-octadecyl-(1-phenyltridecyl)azanium chloride
Openeye Name:dimethyl-octadecyl-(1-phenyltridecyl)ammonium chloride
CAS Name:dimethyl-octadecyl-(1-phenyltridecyl)ammonium chloride
IUPAC Name:dimethyl-octadecyl-(1-phenyltridecyl)azanium chloride
Traditional Name:dimethyl-(1-phenyltridecyl)-stearyl-ammonium chloride
Formula: C39H74ClN
MolecularWeight: 592.46456
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)C(CCCCCCCCCCCC)C1=CC=CC=C1.[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)C(CCCCCCCCCCCC)C1=CC=CC=C1.[Cl-]


InChI

InChI=1S/C39H74N.ClH/c1-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-33-37-40(3,4)39(38-34-30-29-31-35-38)36-32-27-25-23-16-14-12-10-8-6-2;/h29-31,34-35,39H,5-28,32-33,36-37H2,1-4H3;1H/q+1;/p-1


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